2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid

C15H26O2 — CID 81008287

IUPAC2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCCC(C2CCCCC2C(=O)O)C1
InChIInChI=1S/C15H26O2/c1-2-11-6-5-7-12(10-11)13-8-3-4-9-14(13)15(16)17/h11-14H,2-10H2,1H3,(H,16,17)
InChIKeyHUDCRUDDNOHOFL-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.09
Rot. Bonds3

About 2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid

2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid (PubChem CID 81008287) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid
PubChem CID81008287
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCCC(C2CCCCC2C(=O)O)C1
InChIInChI=1S/C15H26O2/c1-2-11-6-5-7-12(10-11)13-8-3-4-9-14(13)15(16)17/h11-14H,2-10H2,1H3,(H,16,17)
InChIKeyHUDCRUDDNOHOFL-UHFFFAOYSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid (CID 81008287) is 2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid is CCC1CCCC(C2CCCCC2C(=O)O)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid?
The InChIKey is HUDCRUDDNOHOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-11-6-5-7-12(10-11)13-8-3-4-9-14(13)15(16)17/h11-14H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid?
2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid has a molecular weight of 238.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81008287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).